sc::SpatialMOPairIter(3)

Okay bestie, this is sc::SpatialMOPairIter(3) from the MPQC manual — and yes, it’s giving spatial-orbital pair-ordering realness. 💅✨

✨ NAME ✨

SpatialMOPairIter gives the ordering of pairs of spatial orbitals. 🫶

🦋 SYNOPSIS 🦋

#include <pairiter.h>

Inherits sc::MOPairIter.

Inherited by sc::SpatialMOPairIter_eq, and sc::SpatialMOPairIter_neq.

🌸 Public Member Functions 🌸

• SpatialMOPairIter (const Ref< MOIndexSpace > &space_i, const Ref< MOIndexSpace > &space_j) — Initialize a spatial pair iterator for the given MO spaces. Literally sets it up for you. 🎀
• virtual int nij_aa () const =0 — Returns the number of functions in alpha-alpha space. Count ‘em, bestie. ✨
• virtual int nij_ab () const =0 — Returns the number of functions in alpha-beta space. Yup, that spin case too. 💫
• virtual int ij_aa () const =0 — Returns compound index ij for the alpha-alpha case. 👑
• virtual int ij_ab () const =0 — Returns compound index ij for the alpha-beta case. 🦋
• virtual int ij_ba () const =0 — Returns compound index ij for the beta-alpha case. 🌈

🎀 Additional Inherited Members 🎀

This class also has additional inherited members — that’s the whole section in the source, no extra list dropped here. 🫡

💖 Detailed Description 💖

SpatialMOPairIter gives the ordering of pairs of spatial orbitals.

Different spin cases appear. Periodt. 💅

🔥 Member Function Documentation 🔥

virtual int sc::SpatialMOPairIter::ij_aa () const [pure virtual]

Returns compound index ij for alpha-alpha case. If the combintaion is not allowed then return -1 — and yes, that’s their spelling, not mine 😭. If it’s not allowed, you get -1, no cap.

Implemented in sc::SpatialMOPairIter_neq, and sc::SpatialMOPairIter_eq.

🌟 Author 🌟

Generated automatically by Doxygen for MPQC from the source code. Iconic automation behavior, honestly. 🤖✨

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💖 Cute sign-off: Version 2.3.1, dated Sun Oct 4 2020, generated automatically by Doxygen for MPQC from the source code. Bye bestie! 🎀🫶